3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine

C17H15FN2O — CID 71569955

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine
SMILESFc1ccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C17H15FN2O/c18-15-5-3-13(4-6-15)1-2-14-9-17(11-19-10-14)21-12-16-7-8-20-16/h3-6,9-11,16,20H,7-8,12H2/t16-/m0/s1
InChIKeyJJGHHIDGFGERGB-INIZCTEOSA-N
MW282.32 g/mol
LogP2.36
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine (PubChem CID 71569955) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine
PubChem CID71569955
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine
SMILESFc1ccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C17H15FN2O/c18-15-5-3-13(4-6-15)1-2-14-9-17(11-19-10-14)21-12-16-7-8-20-16/h3-6,9-11,16,20H,7-8,12H2/t16-/m0/s1
InChIKeyJJGHHIDGFGERGB-INIZCTEOSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ispronicline
CID 9824145
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
6-(5-(((S)-azetidin-2-yl)methoxy)pyridine-3-yl)hex-5-yn-1-ol
CID 11983356
A-85380
CID 5310969
2-Fluoro-A-85380
CID 10241442
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
TC-2559
CID 9823180
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
3-(2-Azetidinylmethoxy)pyridine
CID 1962
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
5-phenyl-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9839702

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine (CID 71569955) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine is Fc1ccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)cc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine?
The InChIKey is JJGHHIDGFGERGB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-5-3-13(4-6-15)1-2-14-9-17(11-19-10-14)21-12-16-7-8-20-16/h3-6,9-11,16,20H,7-8,12H2/t16-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine has a molecular weight of 282.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(4-fluorophenyl)ethynyl]pyridine is sourced from PubChem (CID 71569955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).